tert-butyl 3-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[1-(phenylmethyl)piperidin-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[(1-benzyl-4-piperidyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-benzylpiperidin-4-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(1-benzyl-4-piperidyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-27(2,3)33-26(32)30-19-22-12-8-7-11-21(22)17-24(30)25(31)28-23-13-15-29(16-14-23)18-20-9-5-4-6-10-20/h4-12,23-24H,13-19H2,1-3H3,(H,28,31)